1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine

C19H23FN4O2S — CID 119164154

IUPAC1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CCCC1
InChIInChI=1S/C19H23FN4O2S/c20-15-7-9-17(10-8-15)24-27(25,26)18-11-5-14(6-12-18)13-22-19(21)23-16-3-1-2-4-16/h5-12,16,24H,1-4,13H2,(H3,21,22,23)
InChIKeyVYJYGQWKQXLLKE-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.97
Rot. Bonds6

About 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine

1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine (PubChem CID 119164154) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
PubChem CID119164154
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CCCC1
InChIInChI=1S/C19H23FN4O2S/c20-15-7-9-17(10-8-15)24-27(25,26)18-11-5-14(6-12-18)13-22-19(21)23-16-3-1-2-4-16/h5-12,16,24H,1-4,13H2,(H3,21,22,23)
InChIKeyVYJYGQWKQXLLKE-UHFFFAOYSA-N
XLogP2.97
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111072198
1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
CID 111071863
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-amino-3-cyclohexyl-2-[(4-fluorophenyl)methyl]guanidine
CID 116512388
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
1-cyclobutyl-2-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethyl]guanidine
CID 122095877
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine (CID 119164154) is 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine is N/C(=N\Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine?
The InChIKey is VYJYGQWKQXLLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c20-15-7-9-17(10-8-15)24-27(25,26)18-11-5-14(6-12-18)13-22-19(21)23-16-3-1-2-4-16/h5-12,16,24H,1-4,13H2,(H3,21,22,23).
What are the key properties of 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine?
1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine has a molecular weight of 390.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]guanidine is sourced from PubChem (CID 119164154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).